N,N-dimethyl-3-[(3S)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazin-2-amine

C19H30N8 — CID 95869615

IUPACN,N-dimethyl-3-[(3S)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazin-2-amine
SMILESCN(C)c1nccnc1N1CCC[C@H](c2nnc(CN3CCCC3)n2C)C1
InChIInChI=1S/C19H30N8/c1-24(2)18-19(21-9-8-20-18)27-12-6-7-15(13-27)17-23-22-16(25(17)3)14-26-10-4-5-11-26/h8-9,15H,4-7,10-14H2,1-3H3/t15-/m0/s1
InChIKeyYFCCKLFLNNPZMB-HNNXBMFYSA-N
MW370.51 g/mol
LogP1.65
Rot. Bonds5

About N,N-dimethyl-3-[(3S)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazin-2-amine

N,N-dimethyl-3-[(3S)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazin-2-amine (PubChem CID 95869615) has the molecular formula C19H30N8 and a molecular weight of 370.51 g/mol. Its IUPAC name is N,N-dimethyl-3-[(3S)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[(3S)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazin-2-amine
PubChem CID95869615
Molecular FormulaC19H30N8
Molecular Weight370.51 g/mol
Exact Mass370.26
IUPAC NameN,N-dimethyl-3-[(3S)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazin-2-amine
SMILESCN(C)c1nccnc1N1CCC[C@H](c2nnc(CN3CCCC3)n2C)C1
InChIInChI=1S/C19H30N8/c1-24(2)18-19(21-9-8-20-18)27-12-6-7-15(13-27)17-23-22-16(25(17)3)14-26-10-4-5-11-26/h8-9,15H,4-7,10-14H2,1-3H3/t15-/m0/s1
InChIKeyYFCCKLFLNNPZMB-HNNXBMFYSA-N
XLogP1.65
TPSA66.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.51
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(3S)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazin-2-amine?
The IUPAC name of N,N-dimethyl-3-[(3S)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazin-2-amine (CID 95869615) is N,N-dimethyl-3-[(3S)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazin-2-amine.
What is the SMILES notation for N,N-dimethyl-3-[(3S)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazin-2-amine?
The canonical SMILES for N,N-dimethyl-3-[(3S)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazin-2-amine is CN(C)c1nccnc1N1CCC[C@H](c2nnc(CN3CCCC3)n2C)C1.
What is the InChIKey of N,N-dimethyl-3-[(3S)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazin-2-amine?
The InChIKey is YFCCKLFLNNPZMB-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H30N8/c1-24(2)18-19(21-9-8-20-18)27-12-6-7-15(13-27)17-23-22-16(25(17)3)14-26-10-4-5-11-26/h8-9,15H,4-7,10-14H2,1-3H3/t15-/m0/s1.
What are the key properties of N,N-dimethyl-3-[(3S)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazin-2-amine?
N,N-dimethyl-3-[(3S)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazin-2-amine has a molecular weight of 370.51 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(3S)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazin-2-amine is sourced from PubChem (CID 95869615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).